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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Status of Axisymmetric CFD of an Eleven Inch Diameter Hybrid Rocket Motor

Current status of a steady state, axisymmetric analysis of an experimental 11 inch diameter hybrid rocket motor internal flow field is given. The objective of this effort is to develop a steady state axisymmetric model of the 11 inch hybrid rocket motor which can be used as a design and/or analytical tool. A test hardware description, modeling approach, and future plans are given. The analysis was performed with FDNS implementing several finite rate chemistry sets. A converged solution for a two equation and five species set on a 'fine' grid is shown.

Ruf, Joseph↗
NASA NTRS1974

The electron microprobe as a metallographic tool

The electron microprobe (EMP) is shown to represent one of the most powerful techniques for the examination of the microstructure of materials. It is an electron optical instrument in which compositional and topographic information is obtained from regions smaller than 1 micron in diameter on a specimen. Photographs of compositional and topographic changes in 1-sq-mm to 20-sq-micron areas on various types of specimens can also be obtained. These photographs are strikingly similar to optical photomicrographs. Various signals measured in the EMP (X-rays, secondary electrons, backscattered electrons, etc.) are discussed, along with their resolution and the type of information they may help obtain. In addition to elemental analysis, solid state detecting and scanning techniques are reviewed. Various techniques extending the EMP instrument capabilities, such as deconvolution and soft X-ray analysis, are also described.

Goldstein, J. I.↗
NASA NTRS1991

Recent developments in nickel electrode analysis

Three aspects of nickel electrode analysis for Nickel-Hydrogen and Nickel-Cadmium battery cell applications are addressed: (1) the determination of active material; (2) charged state nickel (as NiOOH + CoOOH); and (3) potassium ion content in the electrode. Four deloading procedures are compared for completeness of active material removal, and deloading conditions for efficient active material analyses are established. Two methods for charged state nickel analysis are compared: the current NASA procedure and a new procedure based on the oxidation of sodium oxalate by the charged material. Finally, a method for determining potassium content in an electrode sample by flame photometry is presented along with analytical results illustrating differences in potassium levels from vendor to vendor and the effects of stress testing on potassium content in the electrode. The relevance of these analytical procedures to electrode performance is reviewed.

Whiteley, Richard V.↗
DOE OSTI2025

MURR LEU structural and thermal hydraulics analyses: Part II – Impacts of irradiation thermo-mechanical behavior on thermal hydraulics safety analyses

A series of structural analyses have been performed to support the conversion of the University of Missouri Research Reactor (MURR) from the use of highly enriched uranium (HEU; ≥20 wt% U-235) to low-enriched uranium (LEU; <20 wt% U-235) fuel. The irradiation thermo-mechanical analysis evaluated the effects of fuel swelling, irradiation creep, thermal expansion, as well as thermal resistance from the oxide layer growth for the MURR LEU element in prototypic thermal and irradiation conditions as presented in Part I of this article. Overall, this irradiation thermo-mechanical analysis predicts smaller gap thickness reductions in previously limiting regions, and larger reductions in the middle of the outermost end channels where power density is not typically a maximum. Due to substantial differences between the channel gap reductions assumed for the previous safety analyses and those predicted by the irradiation thermo-mechanical analysis, a need to evaluate their impact on the thermal hydraulics safety analyses arose. This article presents the results from the steady-state safety analysis for normal operation as well as the two most limiting accident scenarios. The calculation models were revised in order to account for the spatial and temporal variation of the channel gap thicknesses. The results show that sufficient safety margins are still maintained for normal operation as well as during the postulated accident transients. This work provides a methodology of incorporating the irradiation thermo-mechanical behavior of plate-type fuel into the thermal hydraulics safety analyses.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1980

Solar energy system economic evaluation: IBM System 4, Clinton, Mississippi

An economic analysis of the solar energy system was developed for five sites, typical of a wide range of environmental and economic conditions in the continental United States. The analysis was based on the technical and economic models in the F-chart design procedure, with inputs based on the characteristic of the installed system and local conditions. The results are of the economic parameters of present worth of system cost over a 20 year time span: life cycle savings, year of positive savings and year of payback for the optimized solar energy system at each of the analysis sites. The sensitivity of the economic evaluation to uncertainties in constituent system and economic variables is also investigated.

Source record↗
NASA NTRS1980

Solar energy system economic evaluation: IBM System 2, Togus, Maine

The economic analysis of the solar energy system, is developed for Torgus and four other sites typical of a wide range of environmental and economic conditions in the continental United States. This analysis is accomplished based on the technical and economic models in the f-chart design procedure with inputs taken on the characteristics of the installed system and local conditions. The results are expressed in terms of the economic parameters of present worth of system cost over a projected twenty year life, life cycle savings, year of positive savings and year of payback for the optimized solar energy system at each of the analysis sites. The sensitivity of the economic evaluation to uncertainties in constituent system and economic variables is also investigated. Results demonstrate that the solar energy system is economically viable at all of the five sites for which the analysis was conducted.

Source record↗
DOE OSTI2026

How Does Metal Spin State Affect Electronic Communication in Mixed-Valence Dimers? Insights from Ultrafast Near-Infrared and Soft X-ray Transient Absorption Spectroscopy

Recent advancements in photocatalysis, photovoltaics, and quantum information science take advantage of electron spin, and determining how spin multiplicity affects electron transfer is key to understanding these phenomena. Here, in this study, we examine how metal spin state affects electronic communication in an organometallic mixed-valence dimer, ferrocenyl cobaltocenium ([Fe II Cp 2 Co III Cp 2 ] + ). This complex can be photoexcited from its low-spin singlet Fe II ground state to form intermediate-spin triplet Fe II and high-spin quintet Fe II excited states. Using femtosecond optical transient absorption (OTA) spectroscopy with visible (vis), near-infrared (NIR), and short-wave IR (SWIR) probes, supported by time-dependent density functional theory (TD-DFT) calculations, we measure Fe II Co III →Fe III Co II intervalence charge transfer (IVCT) bands in each of the Fe II spin states. Mulliken–Hush analysis of the excited-state IVCT bands was used to compute the electronic coupling between the metal centers in all three spin states, which increased as quintet < triplet < singlet. Meanwhile, the peak energy of the bands, and thus the ΔG of the IVCT transition, increased as triplet < quintet < singlet. Then, to directly probe the electronic structure at each metal center, we employed picosecond soft X-ray transient absorption (XTA) spectroscopy at the Fe and Co L 3 edges. Our results show that the low-spin and high-spin states of [Fe II Cp 2 Co III Cp 2 ] + are valence-localized, while the intermediate-spin state is partially delocalized. The differences in charge delocalization are attributed to differences in orbital occupation and geometry that affect the free energy and superexchange coupling.

Burke, John H. [Univ. of Illinois at Urbana-Champa↗
DOE OSTI2025

What to Support When You’re Compressing

Over the last nearly 20 years, lossy compression has become an essential aspect of HPC applications’ data pipelines, allowing them to overcome limitations in storage capacity and bandwidth and, in some cases, increase computational throughput and capacity. However, with the adoption of lossy compression comes the requirement to assess and control the impact lossy compression has on scientific outcomes. In this work, we take a major step forward in describing the state of practice and by characterizing workloads. We examine applications’ needs and compressors’ capabilities across 9 different supercomputing application domains. We present 24 takeaways that provide best practices for applications, operational impacts for facilities achieving compressed data, and gaps in application needs not addressed by production compressors that point towards opportunities for future compression research.

Error-Bounded Lossy Compression↗
NASA NTRS1990

Transient thermal-structural analysis using adaptive unstructured remeshing and mesh movement

An adaptive unstructured remeshing technique is applied to transient thermal-structural analysis. The effectiveness of the technique, together with the finite element method and an error estimation technique, is evaluated by two applications which have exact solutions: (1) the steady-state thermal analysis of a plate subjected to a highly localized surface heating, and (2) the transient thermal-structural analysis of a simulated convectively cooled leading edge subjected to a translating heat source. These applications demonstrate that the remeshing technique significantly reduces the problem size as well as the analysis solution error as compared to the results produced using standard structured meshes.

Dechaumphai, Pramote↗
DOE OSTI2026

Low-Lying Excited States of Linear All- Trans Polyenes: Insights from Analytic Gradient and Nonadiabatic Coupling Calculations Based on Multireference Configuration Interaction

Polyenes serve as a rigorous test for theoretical models and electronic structure methods, playing a key role in advancing computational and theoretical chemistry. Here, we present a high-level theoretical investigation of linear, all-trans polyenes using energy gradients and nonadiabatic coupling vectors based on an MR-CISD wave function to describe electronic transitions involving the ground state (1 1 A g – ) and three low-lying excited states (2 1 A g – , 1 1 B u + , and 2 1 B u – ) of hexatriene, octatetraene, and decapentaene. This approach enables accurate evaluation of both adiabatic and vertical excitation and emission energies, yielding results in excellent agreement with experiment, as well as locating minima on the crossing seam between adiabatic states. Our results show that vertical excitation energies to the 1 1 B u + state are blue-shifted by 0.2–0.3 eV relative to the experimental absorption maximum, whereas the vertical emission energy from the 2 1 A g – state is red-shifted by ∼0.2 eV relative to the experimental emission maximum. Upon relaxation from the Franck–Condon geometry, the 2 1 A g – state stabilizes by around 1 eV, compared to 0.2–0.3 eV for the 1 1 B u + state. An analysis of the S 1 /S 0 crossing seam in hexatriene shows that its minimum involves asymmetric backbone deformations and provides an efficient channel for ultrafast internal conversion to the ground state, consistent with the absence of detectable fluorescence in this molecule. These results demonstrate the power of analytic gradients and nonadiabatic coupling vectors based on an MR-CISD wave function for accurately characterizing the electronic structure and photophysics of polyenes.

Excited states↗
NASA NTRS1980

Solar energy system economic evaluation final report for SEMCO-Loxahatchee, Loxahatchee National Wildlife refuge, Palm Beach County, Florida

Economic analysis of the solar energy system installed at Loxahatchee, was developed for Loxahatchee and four other sites typical of a wide range of environmental and economic conditions in the continental United States. This analysis was accomplished based on the technical and economic models in the f Chart design procedure with inputs based on the characteristics of the installed system and local conditions. The results are expressed in terms of the economic parameters of present worth of system costs over a projected twenty year life, life cycle savings, year of positive savings and year of payback for the optimized solar energy system at each of the analysis sites. The sensitivity of the economic evaluation to uncertainties in constituent system and economic variables was also investigated. The results demonstrate that the solar energy system is economically viable at all of the five sites for which the analysis was conducted.

Source record↗
NASA NTRS1981

Analysis of capacitive heat exchangers, part 1

Governing equations are developed for a simple capacitive heat exchanger. This type of heat exchanger consists of hot spherical particles falling through an ascending cold gas stream. The assumptions made in deriving the continuity, momentum and energy equations are clearly stated. The analysis yields a system of first order, ordinary, nonlinear equations which form a complex boundary value problem. The method of solution is presented together with a comparison between the performance of capacitive heat exchangers and conventional counter flow ones.

Schonfeld, D.↗
DOE OSTI2026

Neural posterior unfolding

Differential cross section measurements are the currency of scientific exchange in particle and nuclear physics. A key challenge for these analyses is the correction for detector distortions, known as deconvolution or unfolding. Binned unfolding of cross section measurements traditionally rely on the regularized inversion of the response matrix that represents the detector response, mapping pre-detector (`particle level') observables to post-detector (`detector level') observables. In this paper we introduce Neural Posterior Unfolding, a modern, Bayesian approach that leverages normalizing flows for unfolding. By using normalizing flows for neural posterior estimation, NPU offers several key advantages including implicit regularization through the neural network architecture, fast amortized inference that eliminates the need for repeated retraining, and direct access to the full uncertainty in the unfolded result. In addition to introducing NPU, we implement a classical Bayesian unfolding method called Fully Bayesian Unfolding (FBU) in modern Python so it can also be studied. These tools are validated on simple Gaussian examples and then tested on simulated jet substructure examples from the Large Hadron Collider (LHC). We find that the Bayesian methods are effective and worth additional development to be analysis ready for cross section measurements at the LHC and beyond.

Analysis and statistical methods↗
DOE OSTI2026

Neutrino Physics with Deep Learning on NOvA

The NOvA experiment has made both νμ \nu_\mu disappearance and νe \nu_e appearance measurements in Fermilab's NuMI beam, and is working on cross section measurements using near detector data. At the core of NOvA's measurements is the use of deep learning algorithms for identification and reconstruction of the neutrino flavor and energy. These algorithms, used for the first time on NOvA in 2016, yielded large improvements in selection efficiency, and will be applied to our first anti-neutrino results to be released this year. Presented here is the extension of our deep learning efforts for identification of neutrino signal events, final state identification, single particle tagging, and reconstruction using instance segmentation techniques. We will describe the new implementations of modified Convolutional Neural Networks for anti-neutrino events, single particles and their performance for analysis final states selection, standard candle measurements, and reconstruction.

Psihas, Fernanda [Indiana U.]↗
DOE OSTI2025

Amplitude Analysis of $\omega\pi^0$ Photoproduction at GlueX

Excited meson states can often lie hidden within mass spectra beneath more dominant resonances, making it difficult to extract their physical properties. We can unveil these states through amplitude analysis, which disentangles the overlapping states via fits to their unique production and decay angular distributions. Understanding the light-meson spectrum is essential for confirming Lattice QCD predictions, especially in regards to the search for possible hybrid mesons. The Gluonic Excitation (GlueX) experiment at Jefferson Lab aids this search by studying the production of excited light mesons in $\gamma p$ interactions in the 8.2 - 8.8 GeV photon-beam energy range. We show in these proceedings preliminary results of an amplitude analysis of a large $\omega\pi^0$ dataset, concentrating on measuring the interference between the $b_1(1235)$ and an excited $J^{PC}=1^{--}$ vector resonance.

Scheuer, Kevin↗
DOE OSTI2026

High-Energy Hybridized States Enable Long-Lived Hot Electrons in Cobaloxime-Silicon Nanocrystal System

Strong electronic coupling is achieved between the molecular catalyst cobaloxime ([Co]) and silicon nanocrystals (Si NCs) bridged by an ethylenepyridine group derived from vinylpyridine (vpy) covalently bound to the Si NC surface (Si-vpy-[Co]). The ethylenepyridine tether in Si-vpy-[Co] is key to dramatic changes to the system’s physical properties which are not observed in the corresponding formylpyridine (fpy) system (Si-fpy-[Co]) consistent with strong electronic coupling previously observed only in dark electrochemical systems. UV−vis absorption spectroscopy reveals new [Co]-centered electronic states in Si-vpy-[Co], and transient absorption spectroscopy finds a strong absorption feature appearing within 250 fs and persisting for at least 5 ns. Astoundingly, spectroelectrochemical measurements reveal that this absorption feature is consistent with both the singly reduced [Co] − and doubly reduced [Co] 2− complexes, leading to the conclusion that these long-lived charges are derived from high-energy “hot” electrons residing in [Co]-centered states. Detailed analysis using cyclic voltammetry, spectroelectrochemistry, electron paramagnetic resonance spectroscopy, and density functional theory (DFT) calculations provides insight into the unique electronic structure created in Si-vpy-[Co]. DFT reveals that the new electronic states arise from hybridization between deep Si NC band states and high-energy molecular orbitals of the ethylenepyridine tether and the [Co] catalyst and are facilitated by σ-bonding character at the ethylenepyridine linkage. This study demonstrates that strong electronic coupling achieved through precise molecular chemistry can change the paradigm of otherwise fixed energy levels in hybrid photoelectrochemical systems for artificial photosynthesis and related applications.

14 SOLAR ENERGY↗
NASA NTRS1980

Solar energy system economic evaluation for Seeco Lincoln, Lincoln, Nebraska

The economic analysis of the solar energy system that was installed at Lincoln, Nebraska is developed for this and four other sites typical of a wide range of environmental and economic conditions in the continental United States. This analysis is accomplished based on the technical and economic models in the f chart design procedure with inputs based on the characteristics of the installed system and local conditions. The results are expressed in terms of the economic parameters of present worth of system cost over projected twenty year life: life cycle savings, year of positive savings and year of payback for the optimized solar energy system at each of the analysis sites. The sensitivity of the economic evaluation to uncertainties in constituent system and economic variables is also investigated.

Source record↗